| Record Information |
|---|
| Version | 2.0 |
|---|
| Created at | 2025-04-02 11:21:52 UTC |
|---|
| Updated at | 2025-07-30 22:16:03 UTC |
|---|
| NP-MRD ID | NP0350899 |
|---|
| Natural Product DOI | https://doi.org/10.57994/3884 |
|---|
| Secondary Accession Numbers | None |
|---|
| Natural Product Identification |
|---|
| Common Name | asperfatsine E |
|---|
| Description | Based on a literature review very few articles have been published on asperfatsine E. |
|---|
| Structure | COC(C)(C)[C@@H](O)CC1=C2NC(=C(\C=C3/NC(=O)[C@H](C)NC3=O)C2=CC=C1CC=C(C)C)C(C)(C)C=C InChI=1S/C30H41N3O4/c1-10-29(5,6)26-22(15-23-28(36)31-18(4)27(35)32-23)20-14-13-19(12-11-17(2)3)21(25(20)33-26)16-24(34)30(7,8)37-9/h10-11,13-15,18,24,33-34H,1,12,16H2,2-9H3,(H,31,36)(H,32,35)/b23-15-/t18-,24-/m0/s1 |
|---|
| Synonyms | Not Available |
|---|
| Chemical Formula | C30H41N3O4 |
|---|
| Average Mass | 507.6750 Da |
|---|
| Monoisotopic Mass | 507.30971 Da |
|---|
| IUPAC Name | (3Z,6S)-3-({7-[(2S)-2-hydroxy-3-methoxy-3-methylbutyl]-6-(3-methylbut-2-en-1-yl)-2-(2-methylbut-3-en-2-yl)-1H-indol-3-yl}methylidene)-6-methylpiperazine-2,5-dione |
|---|
| Traditional Name | (3Z,6S)-3-({7-[(2S)-2-hydroxy-3-methoxy-3-methylbutyl]-6-(3-methylbut-2-en-1-yl)-2-(2-methylbut-3-en-2-yl)-1H-indol-3-yl}methylidene)-6-methylpiperazine-2,5-dione |
|---|
| CAS Registry Number | Not Available |
|---|
| SMILES | COC(C)(C)[C@@H](O)CC1=C2NC(=C(\C=C3/NC(=O)[C@H](C)NC3=O)C2=CC=C1CC=C(C)C)C(C)(C)C=C |
|---|
| InChI Identifier | InChI=1S/C30H41N3O4/c1-10-29(5,6)26-22(15-23-28(36)31-18(4)27(35)32-23)20-14-13-19(12-11-17(2)3)21(25(20)33-26)16-24(34)30(7,8)37-9/h10-11,13-15,18,24,33-34H,1,12,16H2,2-9H3,(H,31,36)(H,32,35)/b23-15-/t18-,24-/m0/s1 |
|---|
| InChI Key | DDYTTZAAOYMWQH-BPXFCJCUSA-N |
|---|
| Experimental Spectra |
|---|
|
| | Spectrum Type | Description | Depositor Email | Depositor Organization | Depositor | Deposition Date | View |
|---|
| 1D NMR | 13C NMR Spectrum (1D, 176 MHz, CD3OD, experimental) | chenweihao17@mails.ucas.ac.cn | University of Chinese Academy of Sciences | Chen Weihao | 2025-04-02 | View Spectrum | | 1D NMR | 1H NMR Spectrum (1D, 700 MHz, CD3OD, experimental) | chenweihao17@mails.ucas.ac.cn | University of Chinese Academy of Sciences | Chen Weihao | 2025-04-02 | View Spectrum | | COSY NMR | [1H, 1H] NMR Spectrum (2D, 500 MHz, CDCl3, experimental) | chenweihao17@mails.ucas.ac.cn | University of Chinese Academy of Sciences | Chen Weihao | 2025-04-02 | View Spectrum | | HMBC NMR | [1H, 13C] NMR Spectrum (2D, 500 MHz, CDCl3, experimental) | chenweihao17@mails.ucas.ac.cn | University of Chinese Academy of Sciences | Chen Weihao | 2025-04-02 | View Spectrum | | HSQC NMR | [1H, 13C] NMR Spectrum (2D, 500 MHz, CDCl3, experimental) | chenweihao17@mails.ucas.ac.cn | University of Chinese Academy of Sciences | Chen Weihao | 2025-04-02 | View Spectrum | | 1D NMR | 13C NMR Spectrum (1D, 126 MHz, CDCl3, experimental) | chenweihao17@mails.ucas.ac.cn | University of Chinese Academy of Sciences | Chen Weihao | 2025-04-02 | View Spectrum | | 1D NMR | 1H NMR Spectrum (1D, 500 MHz, CDCl3, experimental) | chenweihao17@mails.ucas.ac.cn | University of Chinese Academy of Sciences | Chen Weihao | 2025-04-02 | View Spectrum | | HMBC NMR | [1H, 13C] NMR Spectrum (2D, 700 MHz, CD3OD, experimental) | chenweihao17@mails.ucas.ac.cn | University of Chinese Academy of Sciences | Chen Weihao | 2025-04-02 | View Spectrum |
| | Predicted Spectra |
|---|
|
| | Spectrum Type | Description | Depositor ID | Depositor Organization | Depositor | Deposition Date | View |
|---|
| | Chemical Shift Submissions |
|---|
|
| Not Available | | Species |
|---|
| Species of Origin | | Species Name | Source | Reference |
|---|
| Aspergillus sp. SCSIO41034 | | |
|
|---|
| Chemical Taxonomy |
|---|
| Classification | Not classified |
|---|
| Physical Properties |
|---|
| State | Not Available |
|---|
| Experimental Properties | | Property | Value | Reference |
|---|
| Melting Point | Not Available | Not Available | | Boiling Point | Not Available | Not Available | | Water Solubility | Not Available | Not Available | | LogP | Not Available | Not Available |
|
|---|
| Predicted Properties | |
|---|